Statistical Learning
Adaptive Gate-Aware Mamba Networks for Magnetic Resonance Fingerprinting
Ding, Tianyi, Chen, Hongli, Gao, Yang, Xiong, Zhuang, Liu, Feng, Cloos, Martijn A., Sun, Hongfu
Magnetic Resonance Fingerprinting (MRF) enables fast quantitative imaging by matching signal evolutions to a predefined dictionary. However, conventional dictionary matching suffers from exponential growth in computational cost and memory usage as the number of parameters increases, limiting its scalability to multi-parametric mapping. To address this, recent work has explored deep learning-based approaches as alternatives to DM. We propose GAST-Mamba, an end-to-end framework that combines a dual Mamba-based encoder with a Gate-Aware Spatial-Temporal (GAST) processor. Built on structured state-space models, our architecture efficiently captures long-range spatial dependencies with linear complexity. On 5 times accelerated simulated MRF data (200 frames), GAST-Mamba achieved a T1 PSNR of 33.12~dB, outperforming SCQ (31.69~dB). For T2 mapping, it reached a PSNR of 30.62~dB and SSIM of 0.9124. In vivo experiments further demonstrated improved anatomical detail and reduced artifacts. Ablation studies confirmed that each component contributes to performance, with the GAST module being particularly important under strong undersampling. These results demonstrate the effectiveness of GAST-Mamba for accurate and robust reconstruction from highly undersampled MRF acquisitions, offering a scalable alternative to traditional DM-based methods.
Disentangling the Roles of Representation and Selection in Data Pruning
Du, Yupei, Song, Yingjin, Wong, Hugh Mee, Ignatev, Daniil, Gatt, Albert, Nguyen, Dong
Data pruning, selecting small but impactful subsets, offers a promising way to efficiently scale NLP model training. However, existing methods often involve many different design choices, which have not been systematically studied. This limits future developments. In this work, we decompose data pruning into two key components: the data representation and the selection algorithm, and we systematically analyze their influence on the selection of instances. Our theoretical and empirical results highlight the crucial role of representations: better representations, e.g., training gradients, generally lead to a better selection of instances, regardless of the chosen selection algorithm. Furthermore, different selection algorithms excel in different settings, and none consistently outperforms the others. Moreover, the selection algorithms do not always align with their intended objectives: for example, algorithms designed for the same objective can select drastically different instances, highlighting the need for careful evaluation.
Inverse Reinforcement Learning using Revealed Preferences and Passive Stochastic Optimization
This monograph, spanning three chapters, explores Inverse Reinforcement Learning (IRL). The first two chapters view inverse reinforcement learning (IRL) through the lens of revealed preferences from microeconomics while the third chapter studies adaptive IRL via Langevin dynamics stochastic gradient algorithms. Chapter uses classical revealed preference theory (Afriat's theorem and extensions) to identify constrained utility maximizers based on observed agent actions. This allows for the reconstruction of set-valued estimates of an agent's utility. We illustrate this procedure by identifying the presence of a cognitive radar and reconstructing its utility function. The chapter also addresses the construction of a statistical detector for utility maximization behavior when agent actions are corrupted by noise. Chapter 2 studies Bayesian IRL. It investigates how an analyst can determine if an observed agent is a rationally inattentive Bayesian utility maximizer (i.e., simultaneously optimizing its utility and observation likelihood). The chapter discusses inverse stopping-time problems, focusing on reconstructing the continuation and stopping costs of a Bayesian agent operating over a random horizon. We then apply this IRL methodology to identify the presence of a Bayes-optimal sequential detector. Additionally, Chapter 2 provides a concise overview of discrete choice models, inverse Bayesian filtering, and inverse stochastic gradient algorithms for adaptive IRL. Finally, Chapter 3 introduces an adaptive IRL approach utilizing passive Langevin dynamics. This method aims to track time-varying utility functions given noisy and misspecified gradients. In essence, the adaptive IRL algorithms presented in Chapter 3 can be conceptualized as inverse stochastic gradient algorithms, as they learn the utility function in real-time while a stochastic gradient algorithm is in operation.
UDF-GMA: Uncertainty Disentanglement and Fusion for General Movement Assessment
Luo, Zeqi, Gooya, Ali, Ho, Edmond S. L.
General movement assessment (GMA) is a non-invasive tool for the early detection of brain dysfunction through the qualitative assessment of general movements, and the development of automated methods can broaden its application. However, mainstream pose-based automated GMA methods are prone to uncertainty due to limited high-quality data and noisy pose estimation, hindering clinical reliability without reliable uncertainty measures. In this work, we introduce UDF-GMA which explicitly models epistemic uncertainty in model parameters and aleatoric uncertainty from data noise for pose-based automated GMA. UDF-GMA effectively disentangles uncertainties by directly modelling aleatoric uncertainty and estimating epistemic uncertainty through Bayesian approximation. We further propose fusing these uncertainties with the embedded motion representation to enhance class separation. Extensive experiments on the Pmi-GMA benchmark dataset demonstrate the effectiveness and generalisability of the proposed approach in predicting poor repertoire.
Relative Overfitting and Accept-Reject Framework
The scaling of Large Language Models (LLMs) currently faces significant challenges. Model assembly is widely considered a promising solution to break through these performance bottlenecks. However, current ensembling methods are primarily guided by the statistical expectation that combining multiple models over large samples will lead to performance gains. We propose an ensemble framework that transitions from such stochastic, sample-dependent methods to a regular, controllable approach based on fine-grained model segmentation. This regularity governs how models are segmented to ensure performance improvement, how the magnitude of this improvement varies with model selection, and what factors determine its theoretical maximum. To formalize this pattern, we introduce the concept of'relative overfitting,' which is derived from the performance discrepancies between constituent models and builds a bridge between ensemble outcomes and the inherent attributes of these models. We detail the patterns of this framework within the domain of NLP and briefly describe its extensibility to other fields, such as computer vision (CV) and AI for science. Our approach was validated using both custom-built and pre-trained mainstream models across diverse benchmarks, including language modeling, long-context tasks, and question-answering (QA). The results indicate that the ensemble rules we proposed are generally effective and that we provide a rigorous proof of these rules in certain experimental scenarios. The proposed framework offers a new perspective for understanding ensemble theory and provides a systematic approach to addressing the performance bottlenecks of LLMs.
A Novel Active Learning Approach to Label One Million Unknown Malware Variants
Bensaoud, Ahmed, Kalita, Jugal
Active learning for classification seeks to reduce the cost of labeling samples by finding unlabeled examples about which the current model is least certain and sending them to an annotator/expert to label. Bayesian theory can provide a probabilistic view of deep neural network models by asserting a prior distribution over model parameters and estimating the uncertainties by posterior distribution over these parameters. This paper proposes two novel active learning approaches to label one million malware examples belonging to different unknown modern malware families. The first model is Inception-V4+PCA combined with several support vector machine (SVM) algorithms (UTSVM, PSVM, SVM-GSU, TBSVM). The second model is Vision Transformer based Bayesian Neural Networks ViT-BNN. Our proposed ViT-BNN is a state-of-the-art active learning approach that differs from current methods and can apply to any particular task. The experiments demonstrate that the ViT-BNN is more stable and robust in handling uncertainty.
Machine Learning-Based Prediction of Metal-Organic Framework Materials: A Comparative Analysis of Multiple Models
Zheng, Zhuo, Liu, Keyan, Zhu, Xiyuan
Metal-organic frameworks (MOFs) have emerged as promising materials for various applications due to their unique structural properties and versatile functionalities. This study presents a comprehensive investigation of machine learning approaches for predicting MOF material properties. We employed five different machine learning models: Random Forest, XGBoost, LightGBM, Support Vector Machine, and Neural Network, to analyze and predict MOF characteristics using a dataset from the Kaggle platform. The models were evaluated using multiple performance metrics, including RMSE, R^2, MAE, and cross-validation scores. Results demonstrated that the Random Forest model achieved superior performance with an R^2 value of 0.891 and RMSE of 0.152, significantly outperforming other models. LightGBM showed remarkable computational efficiency, completing training in 25.7 seconds while maintaining high accuracy. Our comparative analysis revealed that ensemble learning methods generally exhibited better performance than traditional single models in MOF property prediction. This research provides valuable insights into the application of machine learning in materials science and establishes a robust framework for future MOF material design and property prediction.
SPATIA: Multimodal Model for Prediction and Generation of Spatial Cell Phenotypes
Kong, Zhenglun, Qiu, Mufan, Boesen, John, Lin, Xiang, Yun, Sukwon, Chen, Tianlong, Kellis, Manolis, Zitnik, Marinka
Understanding how cellular morphology, gene expression, and spatial organization jointly shape tissue function is a central challenge in biology. Image-based spatial transcriptomics technologies now provide high-resolution measurements of cell images and gene expression profiles, but machine learning methods typically analyze these modalities in isolation or at limited resolution. We address the problem of learning unified, spatially aware representations that integrate cell morphology, gene expression, and spatial context across biological scales. This requires models that can operate at single-cell resolution, reason across spatial neighborhoods, and generalize to whole-slide tissue organization. Here, we introduce SPATIA, a multi-scale generative and predictive model for spatial transcriptomics. SPATIA learns cell-level embeddings by fusing image-derived morphological tokens and transcriptomic vector tokens using cross-attention and then aggregates them at niche and tissue levels using transformer modules to capture spatial dependencies. SPATIA incorporates token merging in its generative diffusion decoder to synthesize high-resolution cell images conditioned on gene expression. We assembled a multi-scale dataset consisting of 17 million cell-gene pairs, 1 million niche-gene pairs, and 10,000 tissue-gene pairs across 49 donors, 17 tissue types, and 12 disease states. We benchmark SPATIA against 13 existing models across 12 individual tasks, which span several categories including cell annotation, cell clustering, gene imputation, cross-modal prediction, and image generation. SPATIA achieves improved performance over all baselines and generates realistic cell morphologies that reflect transcriptomic perturbations.
An Explainable Transformer Model for Alzheimer's Disease Detection Using Retinal Imaging
Jamshidiha, Saeed, Rezaee, Alireza, Hajati, Farshid, Golzan, Mojtaba, Chiong, Raymond
Alzheimer's disease (AD) is a neurodegenerative disorder that affects millions worldwide. In the absence of effective treatment options, early diagnosis is crucial for initiating management strategies to delay disease onset and slow down its progression. In this study, we propose Retformer, a novel transformer-based architecture for detecting AD using retinal imaging modalities, leveraging the power of transformers and explainable artificial intelligence. The Retformer model is trained on datasets of different modalities of retinal images from patients with AD and age-matched healthy controls, enabling it to learn complex patterns and relationships between image features and disease diagnosis. To provide insights into the decision-making process of our model, we employ the Gradient-weighted Class Activation Mapping algorithm to visualize the feature importance maps, highlighting the regions of the retinal images that contribute most significantly to the classification outcome. These findings are compared to existing clinical studies on detecting AD using retinal biomarkers, allowing us to identify the most important features for AD detection in each imaging modality. The Retformer model outperforms a variety of benchmark algorithms across different performance metrics by margins of up to 11\.
$φ$-Adapt: A Physics-Informed Adaptation Learning Approach to 2D Quantum Material Discovery
Nguyen, Hoang-Quan, Nguyen, Xuan Bac, Pandey, Sankalp, Faltermeier, Tim, Borys, Nicholas, Churchill, Hugh, Luu, Khoa
Characterizing quantum flakes is a critical step in quantum hardware engineering because the quality of these flakes directly influences qubit performance. Although computer vision methods for identifying two-dimensional quantum flakes have emerged, they still face significant challenges in estimating flake thickness. These challenges include limited data, poor generalization, sensitivity to domain shifts, and a lack of physical interpretability. In this paper, we introduce one of the first Physics-informed Adaptation Learning approaches to overcome these obstacles. We focus on two main issues, i.e., data scarcity and generalization. First, we propose a new synthetic data generation framework that produces diverse quantum flake samples across various materials and configurations, reducing the need for time-consuming manual collection. Second, we present $φ$-Adapt, a physics-informed adaptation method that bridges the performance gap between models trained on synthetic data and those deployed in real-world settings. Experimental results show that our approach achieves state-of-the-art performance on multiple benchmarks, outperforming existing methods. Our proposed approach advances the integration of physics-based modeling and domain adaptation. It also addresses a critical gap in leveraging synthesized data for real-world 2D material analysis, offering impactful tools for deep learning and materials science communities.